5-Iodopyrimidine

Base Information

• Chemical Name: 5-Iodopyrimidine
• CAS No.: 31462-58-5
• Molecular Formula: C4H3 I N2
• Molecular Weight: 205.986
• Hs Code.: 2933599090
• European Community (EC) Number: 806-903-3
• DSSTox Substance ID: DTXSID00360893
• Nikkaji Number: J2.656.371B
• Wikidata: Q72484564
• Mol file: 31462-58-5.mol

Synonyms:5-iodopyrimidine;31462-58-5;5-iodanylpyrimidine;MFCD00233961;Pyrimidine, 5-iodo-;SCHEMBL80788;AMY1687;DTXSID00360893;DNWRLMRKDSGSPL-UHFFFAOYSA-N;AKOS015853849;CS-W005656;SB60469;SS-6053;SY058504;FT-0649202;EN300-87907;AC-907/25004280;J-517645;F8881-5086;Z1259106172;HGW

Chemical Property of 5-Iodopyrimidine

Chemical Property:

• Vapor Pressure: 0.0938mmHg at 25°C
• Melting Point: 266-268 °C(Solv: water (7732-18-5))
• Refractive Index: 1.641
• Boiling Point: 231.6 °C at 760 mmHg
• PKA: 1.38±0.10(Predicted)
• Flash Point: 93.9 °C
• PSA: 25.78000
• Density: 2.102 g/cm³
• LogP: 1.08120
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.93410
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

97% ^*data from raw suppliers

5-Iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=N1)I

Technology Process of 5-Iodopyrimidine

There total 5 articles about 5-Iodopyrimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

5-bromopyrimidine (4595-59-9) → 5-iodopyrimidine (31462-58-5)

Guidance literature:

With copper(l) iodide; N,N-diethylethylenediamine; sodium iodide; In 1,4-dioxane; at 120 ℃; for 18h; Schlenk technique;

DOI:10.1021/acs.orglett.7b01669

Reference yield: 66.0%

PYRIMIDINE (289-95-2,25247-63-6) → 5-iodopyrimidine (31462-58-5)

Guidance literature:

PYRIMIDINE; With phosphazene base-P₄-tert-butyl; zinc(II) iodide; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

With iodine; In tetrahydrofuran;

DOI:10.3987/COM-08-S(N)107

Reference yield: 58.0%

PYRIMIDINE (289-95-2,25247-63-6) → 4-iodopyrimidine (31462-57-4) + 5-iodopyrimidine (31462-58-5)

Guidance literature:

PYRIMIDINE; With 2,2,6,6-tetramethylpiperidin-4-yl heptanoate; 2,2,6,6-tetramethyl-piperidine; n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc; In tetrahydrofuran; hexane; at 0 - 20 ℃; Inert atmosphere;

With iodine; In tetrahydrofuran; hexane; Inert atmosphere;

DOI:10.1002/chem.201000543

upstream raw materials:

PYRIMIDINE

5-bromopyrimidine

Downstream raw materials:

C₂₇H₂₉N₃O₄

C₂₆H₂₇N₃O₃

C₂₆H₂₇N₃O₂

C₂₅H₂₅N₃O₂